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vem stubbing

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edoapra 2024-10-18 10:08:02 -07:00
parent 68dc39d522
commit a5bad30433
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src/config/make_nwchem_config
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@ -322,7 +322,7 @@ STUBROUTINES := $(patsubst qmmm, qmmm_input task_qmmm_fep task_qmmm_abc qmmm_pri
STUBROUTINES := $(patsubst mm, mm_add_energy mm_add_egrad mm_input mmi_init mmi_end mm_task_gradient mm_task_energy,$(STUBROUTINES) )
STUBROUTINES := $(patsubst dplot,dplot dplot_input player,$(STUBROUTINES) )
STUBROUTINES := $(patsubst property,property raman_input task_raman prop_input hnd_nwhnd_tran hnd_prp_vec_read hnd_diag hnd_elfcon_symm hnd_elfcon hnd_elfcon_fde get_slctd_atoms xc_tabcd_giao_nmr_rhs int_giao_1ega fiao_b1_movecs giao_b1_movecs int_mpole_1ega atom_gfac,$(STUBROUTINES) )
STUBROUTINES := $(patsubst solvation,cosmo_input cosmo_initialize cosmo_charges cosmo_charges_from_dmat cosmo_def_radii cosmo_tidy cosff cosdff grad_hnd_cos cosmo_smd_output cosmo_vem_output,$(STUBROUTINES) )
STUBROUTINES := $(patsubst solvation,cosmo_input cosmo_initialize cosmo_charges cosmo_charges_from_dmat cosmo_def_radii cosmo_tidy cosff cosdff grad_hnd_cos cosmo_smd_output cosmo_vem_output hnd_destroy_gvems hnd_create_gvems,$(STUBROUTINES) )
STUBROUTINES := $(patsubst vscf,task_vscf vscf_input,$(STUBROUTINES) )
STUBROUTINES := $(patsubst dntmc,task_dntmc dntmc_input,$(STUBROUTINES) )
STUBROUTINES := $(patsubst dangchang,dc_energy dangchang_input,$(STUBROUTINES) )